Propan-2-yl 2-ethoxybenzoate
TL;DR: Propan-2-yl 2-ethoxybenzoate (CAS 188754-41-8) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-ethoxybenzoate
Also Known As: propan-2-yl 2-ethoxybenzoate, Isopropyl 2-ethoxybenzoate, Benzoic acid, 2-ethoxy-, 1-methylethyl ester (9CI)
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 188754-41-8 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)OC(C)C |
| InChIKey | DXFQVUJFXYGTNP-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-ethoxybenzoate (CAS 188754-41-8), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: propan-2-yl 2-ethoxybenzoate.
Chemical Property Profile of Propan-2-yl 2-ethoxybenzoate
Property Insights of Propan-2-yl 2-ethoxybenzoate
The XLogP value of 3.2 indicates that Propan-2-yl 2-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Propan-2-yl 2-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 2-ethoxybenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propan-2-yl 2-ethoxybenzoate?
The CAS number of Propan-2-yl 2-ethoxybenzoate is 188754-41-8.
What is the molecular formula of Propan-2-yl 2-ethoxybenzoate?
The molecular formula of Propan-2-yl 2-ethoxybenzoate is C12H16O3.
What is the molecular weight of Propan-2-yl 2-ethoxybenzoate?
The molecular weight of Propan-2-yl 2-ethoxybenzoate is 208.11 g/mol.
Where can I buy Propan-2-yl 2-ethoxybenzoate?
You can request a quote for Propan-2-yl 2-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.